CCCBDB calculation results Page

State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C3	¹A

Energy calculated at HF/Def2TZVPP

	hartrees
Energy at 0K	-729.076804
Energy at 298.15K	-729.094028
HF Energy	-729.076804
Nuclear repulsion energy	1288.815086

The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.

Vibrational Frequencies calculated at HF/Def2TZVPP

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3355	3041	11.70
2	A	3344	3031	3.33
3	A	3331	3019	52.09
4	A	3319	3008	0.00
5	A	3310	3000	3.21
6	A	3190	2891	8.39
7	A	1790	1622	0.00
8	A	1759	1594	4.78
9	A	1654	1499	1.01
10	A	1596	1447	14.24
11	A	1471	1333	2.27
12	A	1322	1198	0.05
13	A	1297	1176	0.35
14	A	1264	1146	0.18
15	A	1196	1084	5.10
16	A	1165	1056	3.18
17	A	1120	1015	0.11
18	A	1118	1014	0.01
19	A	1108	1004	0.11
20	A	1084	983	0.01
21	A	1046	948	1.34
22	A	957	867	0.02
23	A	904	820	6.67
24	A	809	733	48.86
25	A	777	705	20.69
26	A	723	655	3.13
27	A	676	613	0.85
28	A	523	474	3.75
29	A	458	415	0.01
30	A	285	258	0.09
31	A	232	210	0.36
32	A	94	86	0.25
33	A	51	46	0.00
34	E	3354	3040	4.12
34	E	3354	3040	4.12
35	E	3344	3031	47.20
35	E	3344	3031	47.20
36	E	3331	3019	13.98
36	E	3331	3019	13.98
37	E	3319	3008	1.38
37	E	3319	3008	1.38
38	E	3310	3000	6.22
38	E	3310	3000	6.22
39	E	1785	1618	16.50
39	E	1785	1618	16.50
40	E	1763	1598	0.51
40	E	1763	1598	0.51
41	E	1655	1500	25.75
41	E	1655	1500	25.75
42	E	1605	1455	8.01
42	E	1605	1455	8.01
43	E	1491	1352	0.72
43	E	1491	1352	0.72
44	E	1418	1285	5.57
44	E	1418	1285	5.57
45	E	1336	1211	0.61
45	E	1336	1211	0.61
46	E	1296	1175	0.81
46	E	1296	1175	0.81
47	E	1289	1168	0.02
47	E	1289	1168	0.02
48	E	1188	1077	0.51
48	E	1188	1077	0.51
49	E	1170	1061	0.88
49	E	1170	1061	0.88
50	E	1122	1017	5.53
50	E	1122	1017	5.53
51	E	1118	1013	0.01
51	E	1118	1013	0.01
52	E	1107	1003	0.06
52	E	1107	1003	0.06
53	E	1086	985	0.42
53	E	1086	985	0.42
54	E	1045	947	1.92
54	E	1045	947	1.92
55	E	954	865	0.16
55	E	954	865	0.16
56	E	941	853	1.45
56	E	941	853	1.45
57	E	843	764	37.87
57	E	843	764	37.87
58	E	779	706	45.30
58	E	779	706	45.30
59	E	680	616	3.75
59	E	680	616	3.75
60	E	665	602	14.77
60	E	665	602	14.77
61	E	548	497	3.67
61	E	548	497	3.67
62	E	454	412	0.17
62	E	454	412	0.17
63	E	320	290	0.34
63	E	320	290	0.34
64	E	253	229	0.52
64	E	253	229	0.52
65	E	70	63	0.13
65	E	70	63	0.13
66	E	31	28	0.04
66	E	31	28	0.04

Unscaled Zero Point Vibrational Energy (zpe) 67833.4 cm^-1
Scaled (by 0.9064) Zero Point Vibrational Energy (zpe) 61484.2 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at HF/Def2TZVPP

A	B	C
0.01301	0.01301	0.00758

See section I.F.4 to change rotational constant units

Geometric Data calculated at HF/Def2TZVPP

Point Group is C₃

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.711
H2	0.000	0.000	1.793
C3	0.000	1.472	0.303
C4	1.275	-0.736	0.303
C5	-1.275	-0.736	0.303
C6	0.684	1.951	-0.800
C7	1.348	-1.567	-0.800
C8	-2.031	-0.384	-0.800
C9	-0.728	2.374	1.066
C10	2.420	-0.556	1.066
C11	-1.692	-1.818	1.066
C12	0.632	3.292	-1.138
C13	2.535	-2.193	-1.138
C14	-3.167	-1.099	-1.138
C15	-0.779	3.711	0.735
C16	3.604	-1.181	0.735
C17	-2.824	-2.531	0.735
C18	-0.098	4.177	-0.375
C19	3.667	-2.003	-0.375
C20	-3.568	-2.174	-0.375
H21	1.268	1.283	-1.401
H22	0.477	-1.739	-1.401
H23	-1.745	0.456	-1.401
H24	-1.266	2.024	1.928
H25	2.385	0.084	1.928
H26	-1.120	-2.108	1.928
H27	1.170	3.642	-1.999
H28	2.568	-2.834	-1.999
H29	-3.739	-0.807	-1.999
H30	-1.348	4.390	1.342
H31	4.475	-1.028	1.342
H32	-3.128	-3.362	1.342
H33	-0.133	5.217	-0.635
H34	4.585	-2.493	-0.635
H35	-4.452	-2.724	-0.635

Atom - Atom Distances (Å)

	C1	H2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	H21	H22	H23	H24	H25	H26	H27	H28	H29	H30	H31	H32	H33	H34	H35
C1		1.0826	1.5276	1.5276	1.5276	2.5608	2.5608	2.5608	2.5086	2.5086	2.5086	3.8285	3.8285	3.8285	3.7924	3.7924	3.7924	4.3170	4.3170	4.3170	2.7769	2.7769	2.7769	2.6792	2.6792	2.6792	4.6874	4.6874	4.6874	4.6350	4.6350	4.6350	5.3898	5.3898	5.3898
H2	1.0826		2.0950	2.0950	2.0950	3.3169	3.3169	3.3169	2.5876	2.5876	2.5876	4.4535	4.4535	4.4535	3.9373	3.9373	3.9373	4.7073	4.7073	4.7073	3.6682	3.6682	3.6682	2.3906	2.3906	2.3906	5.3862	5.3862	5.3862	4.6139	4.6139	4.6139	5.7563	5.7563	5.7563
C3	1.5276	2.0950		2.5498	2.5498	1.3833	3.5033	2.9643	1.3881	3.2489	3.7773	2.4061	4.6840	4.3263	2.4100	4.4957	4.9179	2.7903	5.0973	5.1463	2.1319	3.6664	2.6417	2.1322	3.2027	4.0879	3.3724	5.5172	4.9469	3.3775	5.2305	5.8506	3.8632	6.1340	6.1893
C4	1.5276	2.0950	2.5498		2.5498	2.9643	1.3833	3.5033	3.7773	1.3881	3.2489	4.3263	2.4061	4.6840	4.9179	2.4100	4.4957	5.1463	2.7903	5.0973	2.6417	2.1319	3.6664	4.0879	2.1322	3.2027	4.9469	3.3724	5.5172	5.8506	3.3775	5.2305	6.1893	3.8632	6.1340
C5	1.5276	2.0950	2.5498	2.5498		3.5033	2.9643	1.3833	3.2489	3.7773	1.3881	4.6840	4.3263	2.4061	4.4957	4.9179	2.4100	5.0973	5.1463	2.7903	3.6664	2.6417	2.1319	3.2027	4.0879	2.1322	5.5172	4.9469	3.3724	5.2305	5.8506	3.3775	6.1340	6.1893	3.8632
C6	2.5608	3.3169	1.3833	2.9643	3.5033		3.5807	3.5807	2.3783	3.5760	4.8302	1.3840	4.5518	4.9237	2.7560	4.5489	5.8947	2.3975	4.9717	5.9391	1.0715	3.7444	2.9139	3.3537	3.7182	5.2125	2.1286	5.2810	5.3480	3.8291	5.2764	6.8806	3.3712	5.9162	6.9468
C7	2.5608	3.3169	3.5033	1.3833	2.9643	3.5807		3.5807	4.8302	2.3783	3.5760	4.9237	1.3840	4.5518	5.8947	2.7560	4.5489	5.9391	2.3975	4.9717	2.9139	1.0715	3.7444	5.2125	3.3537	3.7182	5.3480	2.1286	5.2810	6.8806	3.8291	5.2764	6.9468	3.3712	5.9162
C8	2.5608	3.3169	2.9643	3.5033	1.3833	3.5807	3.5807		3.5760	4.8302	2.3783	4.5518	4.9237	1.3840	4.5489	5.8947	2.7560	4.9717	5.9391	2.3975	3.7444	2.9139	1.0715	3.7182	5.2125	3.3537	5.2810	5.3480	2.1286	5.2764	6.8806	3.8291	5.9162	6.9468	3.3712
C9	2.5086	2.5876	1.3881	3.7773	3.2489	2.3783	4.8302	3.5760		4.3012	4.3012	2.7484	6.0309	4.7822	1.3787	5.6136	5.3443	2.3924	6.3681	5.5522	3.3556	4.9456	3.2860	1.0742	3.9598	4.5808	3.8216	6.8840	5.3460	2.1265	6.2229	6.2238	3.3662	7.4037	6.5385
C10	2.5086	2.5876	3.2489	1.3881	3.7773	3.5760	2.3783	4.8302	4.3012		4.3012	4.7822	2.7484	6.0309	5.3443	1.3787	5.6136	5.5522	2.3924	6.3681	3.2860	3.3556	4.9456	4.5808	1.0742	3.9598	5.3460	3.8216	6.8840	6.2238	2.1265	6.2229	6.5385	3.3662	7.4037
C11	2.5086	2.5876	3.7773	3.2489	1.3881	4.8302	3.5760	2.3783	4.3012	4.3012		6.0309	4.7822	2.7484	5.6136	5.3443	1.3787	6.3681	5.5522	2.3924	4.9456	3.2860	3.3556	3.9598	4.5808	1.0742	6.8840	5.3460	3.8216	6.2229	6.2238	2.1265	7.4037	6.5385	3.3662
C12	3.8285	4.4535	2.4061	4.3263	4.6840	1.3840	4.9237	4.5518	2.7484	4.7822	6.0309		5.8063	5.8063	2.3826	5.6874	7.0257	1.3784	6.1510	6.9356	2.1237	5.0405	3.7094	3.8225	4.7715	6.4522	1.0732	6.4825	6.0539	3.3580	6.2916	8.0352	2.1323	7.0250	7.8928
C13	3.8285	4.4535	4.6840	2.4061	4.3263	4.5518	1.3840	4.9237	6.0309	2.7484	4.7822	5.8063		5.8063	7.0257	2.3826	5.6874	6.9356	1.3784	6.1510	3.7094	2.1237	5.0405	6.4522	3.8225	4.7715	6.0539	1.0732	6.4825	8.0352	3.3580	6.2916	7.8928	2.1323	7.0250
C14	3.8285	4.4535	4.3263	4.6840	2.4061	4.9237	4.5518	1.3840	4.7822	6.0309	2.7484	5.8063	5.8063		5.6874	7.0257	2.3826	6.1510	6.9356	1.3784	5.0405	3.7094	2.1237	4.7715	6.4522	3.8225	6.4825	6.0539	1.0732	6.2916	8.0352	3.3580	7.0250	7.8928	2.1323
C15	3.7924	3.9373	2.4100	4.9179	4.4957	2.7560	5.8947	4.5489	1.3787	5.3443	5.6136	2.3826	7.0257	5.6874		6.5685	6.5685	1.3825	7.3250	6.6063	3.8273	5.9873	4.0109	2.1232	4.9594	5.9500	3.3582	7.8438	6.0537	1.0732	7.1021	7.4776	2.1356	8.3156	7.5352
C16	3.7924	3.9373	4.4957	2.4100	4.9179	4.5489	2.7560	5.8947	5.6136	1.3787	5.3443	5.6874	2.3826	7.0257	6.5685		6.5685	6.6063	1.3825	7.3250	4.0109	3.8273	5.9873	5.9500	2.1232	4.9594	6.0537	3.3582	7.8438	7.4776	1.0732	7.1021	7.5352	2.1356	8.3156
C17	3.7924	3.9373	4.9179	4.4957	2.4100	5.8947	4.5489	2.7560	5.3443	5.6136	1.3787	7.0257	5.6874	2.3826	6.5685	6.5685		7.3250	6.6063	1.3825	5.9873	4.0109	3.8273	4.9594	5.9500	2.1232	7.8438	6.0537	3.3582	7.1021	7.4776	1.0732	8.3156	7.5352	2.1356
C18	4.3170	4.7073	2.7903	5.1463	5.0973	2.3975	5.9391	4.9717	2.3924	5.5522	6.3681	1.3784	6.9356	6.1510	1.3825	6.6063	7.3250		7.2370	7.2370	3.3609	6.0321	4.1961	3.3617	5.3126	6.7709	2.1293	7.6753	6.3823	2.1337	7.1384	8.3042	1.0729	8.1545	8.1639
C19	4.3170	4.7073	5.0973	2.7903	5.1463	4.9717	2.3975	5.9391	6.3681	2.3924	5.5522	6.1510	1.3784	6.9356	7.3250	1.3825	6.6063	7.2370		7.2370	4.1961	3.3609	6.0321	6.7709	3.3617	5.3126	6.3823	2.1293	7.6753	8.3042	2.1337	7.1384	8.1639	1.0729	8.1545
C20	4.3170	4.7073	5.1463	5.0973	2.7903	5.9391	4.9717	2.3975	5.5522	6.3681	2.3924	6.9356	6.1510	1.3784	6.6063	7.3250	1.3825	7.2370	7.2370		6.0321	4.1961	3.3609	5.3126	6.7709	3.3617	7.6753	6.3823	2.1293	7.1384	8.3042	2.1337	8.1545	8.1639	1.0729
H21	2.7769	3.6682	2.1319	2.6417	3.6664	1.0715	2.9139	3.7444	3.3556	3.2860	4.9456	2.1237	3.7094	5.0405	3.8273	4.0109	5.9873	3.3609	4.1961	6.0321		3.1236	3.1236	4.2480	3.7103	5.3175	2.4353	4.3590	5.4580	4.9004	4.8116	6.9581	4.2464	5.0845	7.0253
H22	2.7769	3.6682	3.6664	2.1319	2.6417	3.7444	1.0715	2.9139	4.9456	3.3556	3.2860	5.0405	2.1237	3.7094	5.9873	3.8273	4.0109	6.0321	3.3609	4.1961	3.1236		3.1236	5.3175	4.2480	3.7103	5.4580	2.4353	4.3590	6.9581	4.9004	4.8116	7.0253	4.2464	5.0845
H23	2.7769	3.6682	2.6417	3.6664	2.1319	2.9139	3.7444	1.0715	3.2860	4.9456	3.3556	3.7094	5.0405	2.1237	4.0109	5.9873	3.8273	4.1961	6.0321	3.3609	3.1236	3.1236		3.7103	5.3175	4.2480	4.3590	5.4580	2.4353	4.8116	6.9581	4.9004	5.0845	7.0253	4.2464
H24	2.6792	2.3906	2.1322	4.0879	3.2027	3.3537	5.2125	3.7182	1.0742	4.5808	3.9598	3.8225	6.4522	4.7715	2.1232	5.9500	4.9594	3.3617	6.7709	5.3126	4.2480	5.3175	3.7103		4.1342	4.1342	4.8957	7.3293	5.4359	2.4387	6.5278	5.7285	4.2482	7.8230	6.2659
H25	2.6792	2.3906	3.2027	2.1322	4.0879	3.7182	3.3537	5.2125	3.9598	1.0742	4.5808	4.7715	3.8225	6.4522	4.9594	2.1232	5.9500	5.3126	3.3617	6.7709	3.7103	4.2480	5.3175	4.1342		4.1342	5.4359	4.8957	7.3293	5.7285	2.4387	6.5278	6.2659	4.2482	7.8230
H26	2.6792	2.3906	4.0879	3.2027	2.1322	5.2125	3.7182	3.3537	4.5808	3.9598	1.0742	6.4522	4.7715	3.8225	5.9500	4.9594	2.1232	6.7709	5.3126	3.3617	5.3175	3.7103	4.2480	4.1342	4.1342		7.3293	5.4359	4.8957	6.5278	5.7285	2.4387	7.8230	6.2659	4.2482
H27	4.6874	5.3862	3.3724	4.9469	5.5172	2.1286	5.3480	5.2810	3.8216	5.3460	6.8840	1.0732	6.0539	6.4825	3.3582	6.0537	7.8438	2.1293	6.3823	7.6753	2.4353	5.4580	4.3590	4.8957	5.4359	7.3293		6.6251	6.6251	4.2497	6.6246	8.8702	2.4585	7.1524	8.6019
H28	4.6874	5.3862	5.5172	3.3724	4.9469	5.2810	2.1286	5.3480	6.8840	3.8216	5.3460	6.4825	1.0732	6.0539	7.8438	3.3582	6.0537	7.6753	2.1293	6.3823	4.3590	2.4353	5.4580	7.3293	4.8957	5.4359	6.6251		6.6251	8.8702	4.2497	6.6246	8.6019	2.4585	7.1524
H29	4.6874	5.3862	4.9469	5.5172	3.3724	5.3480	5.2810	2.1286	5.3460	6.8840	3.8216	6.0539	6.4825	1.0732	6.0537	7.8438	3.3582	6.3823	7.6753	2.1293	5.4580	4.3590	2.4353	5.4359	7.3293	4.8957	6.6251	6.6251		6.6246	8.8702	4.2497	7.1524	8.6019	2.4585
H30	4.6350	4.6139	3.3775	5.8506	5.2305	3.8291	6.8806	5.2764	2.1265	6.2238	6.2229	3.3580	8.0352	6.2916	1.0732	7.4776	7.1021	2.1337	8.3042	7.1384	4.9004	6.9581	4.8116	2.4387	5.7285	6.5278	4.2497	8.8702	6.6246		7.9533	7.9533	2.4630	9.2994	8.0094
H31	4.6350	4.6139	5.2305	3.3775	5.8506	5.2764	3.8291	6.8806	6.2229	2.1265	6.2238	6.2916	3.3580	8.0352	7.1021	1.0732	7.4776	7.1384	2.1337	8.3042	4.8116	4.9004	6.9581	6.5278	2.4387	5.7285	6.6246	4.2497	8.8702	7.9533		7.9533	8.0094	2.4630	9.2994
H32	4.6350	4.6139	5.8506	5.2305	3.3775	6.8806	5.2764	3.8291	6.2238	6.2229	2.1265	8.0352	6.2916	3.3580	7.4776	7.1021	1.0732	8.3042	7.1384	2.1337	6.9581	4.8116	4.9004	5.7285	6.5278	2.4387	8.8702	6.6246	4.2497	7.9533	7.9533		9.2994	8.0094	2.4630
H33	5.3898	5.7563	3.8632	6.1893	6.1340	3.3712	6.9468	5.9162	3.3662	6.5385	7.4037	2.1323	7.8928	7.0250	2.1356	7.5352	8.3156	1.0729	8.1639	8.1545	4.2464	7.0253	5.0845	4.2482	6.2659	7.8230	2.4585	8.6019	7.1524	2.4630	8.0094	9.2994		9.0399	9.0399
H34	5.3898	5.7563	6.1340	3.8632	6.1893	5.9162	3.3712	6.9468	7.4037	3.3662	6.5385	7.0250	2.1323	7.8928	8.3156	2.1356	7.5352	8.1545	1.0729	8.1639	5.0845	4.2464	7.0253	7.8230	4.2482	6.2659	7.1524	2.4585	8.6019	9.2994	2.4630	8.0094	9.0399		9.0399
H35	5.3898	5.7563	6.1893	6.1340	3.8632	6.9468	5.9162	3.3712	6.5385	7.4037	3.3662	7.8928	7.0250	2.1323	7.5352	8.3156	2.1356	8.1639	8.1545	1.0729	7.0253	5.0845	4.2464	6.2659	7.8230	4.2482	8.6019	7.1524	2.4585	8.0094	9.2994	2.4630	9.0399	9.0399

picture of Triphenylmethane state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	123.135	C1	C3	C9	118.643
C1	C4	C7	123.135	C1	C4	C10	118.643
C1	C5	C8	123.135	C1	C5	C11	118.643
H2	C1	C3	105.490	H2	C1	C4	105.490
H2	C1	C5	105.490	C3	C1	C4	113.142
C3	C1	C5	113.142	C3	C6	C12	120.790
C3	C6	H21	120.021	C3	C9	C15	121.166
C3	C9	H24	119.446	C4	C1	C5	113.142
C4	C7	C13	120.790	C4	C7	H22	120.021
C4	C10	C16	121.166	C4	C10	H25	119.446
C5	C8	C14	120.790	C5	C8	H23	120.021
C5	C11	C17	121.166	C5	C11	H26	119.446
C6	C3	C9	118.220	C6	C12	C18	120.429
C6	C12	H27	119.512	C7	C4	C10	118.220
C7	C13	C19	120.429	C7	C13	H28	119.512
C8	C5	C11	118.220	C8	C14	C20	120.429
C8	C14	H29	119.512	C9	C15	C18	120.096
C9	C15	H30	119.774	C10	C16	C19	120.096
C10	C16	H31	119.774	C11	C17	C20	120.096
C11	C17	H32	119.774	C12	C5	H21	25.994
C12	C18	C15	119.297	C12	C18	H33	120.374
C13	C7	H22	119.188	C13	C19	C16	119.297
C13	C19	H34	120.374	C14	C8	H23	119.188
C14	C20	C17	119.297	C14	C20	H35	120.373
C15	C9	H24	119.387	C15	C18	H33	120.329
C16	C10	H25	119.387	C16	C19	H34	120.329
C17	C11	H26	119.387	C17	C20	H35	120.329
C18	C12	H27	120.058	C18	C15	H30	120.130
C19	C13	H28	120.058	C19	C16	H31	120.130
C20	C14	H29	120.058	C20	C17	H32	120.130

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at HF/Def2TZVPP Charges (e)

Number	Element	Mulliken
1	C	0.274
2	H	0.105
3	C	0.047
4	C	0.047
5	C	0.047
6	C	-0.119
7	C	-0.119
8	C	-0.119
9	C	-0.223
10	C	-0.223
11	C	-0.223
12	C	-0.100
13	C	-0.100
14	C	-0.100
15	C	-0.101
16	C	-0.101
17	C	-0.101
18	C	-0.094
19	C	-0.094
20	C	-0.094
21	H	0.097
22	H	0.097
23	H	0.097
24	H	0.084
25	H	0.084
26	H	0.084
27	H	0.095
28	H	0.095
29	H	0.095
30	H	0.093
31	H	0.093
32	H	0.093
33	H	0.093
34	H	0.093
35	H	0.093

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	0.000	0.000	0.062	0.062
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive
	x	y	z
x	-108.410	0.000	0.000
y	0.000	-108.410	0.000
z	0.000	0.000	-106.878

Traceless
	x	y	z
x	-0.766	0.000	0.000
y	0.000	-0.766	0.000
z	0.000	0.000	1.532

Polar
3z²-r²	3.065
x²-y²	0.000
xy	0.000
xz	0.000
yz	0.000

Polarizabilities
Components of the polarizability tensor.
Units are Å³ (Angstrom cubed)
Change units.

	x	y	z
x	32.082	0.000	0.000
y	0.000	32.082	0.000
z	0.000	0.000	25.409

<r²> (average value of r²) Å²

<r²>	1397.507
(<r²>)^1/2	37.383

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)

using model chemistry: HF/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C19H16 (Triphenylmethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₁₉H₁₆ (Triphenylmethane)